CID 798971

3-chloro-n-cycloheptylbenzamide

Structural Information

Molecular Formula
C14H18ClNO
SMILES
C1CCCC(CC1)NC(=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H18ClNO/c15-12-7-5-6-11(10-12)14(17)16-13-8-3-1-2-4-9-13/h5-7,10,13H,1-4,8-9H2,(H,16,17)
InChIKey
CFAOEBFSQCPXKM-UHFFFAOYSA-N
Compound name
3-chloro-N-cycloheptylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

251.1077 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11498 155.2
[M+Na]+ 274.09692 158.8
[M-H]- 250.10042 161.5
[M+NH4]+ 269.14152 171.4
[M+K]+ 290.07086 159.0
[M+H-H2O]+ 234.10496 149.1
[M+HCOO]- 296.10590 170.9
[M+CH3COO]- 310.12155 195.2
[M+Na-2H]- 272.08237 158.0
[M]+ 251.10715 148.9
[M]- 251.10825 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.